Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94 - researchr publication related

researchr

You are not signed in
Sign in
Sign up

Thomas A. Halgren. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. Journal of Computational Chemistry, 17(5-6):490-519, 1996. [doi]

The following publications are possibly variants of this publication:

Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94Thomas A. Halgren. jcc, 17(5-6):553-586, 1996. [doi]

Merck molecular force field. IV. conformational energies and geometries for MMFF94Thomas A. Halgren, Robert B. Nachbar. jcc, 17(5-6):587-615, 1996. [doi]

Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular. interactionsThomas A. Halgren. jcc, 17(5-6):520-552, 1996. [doi]

Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rulesThomas A. Halgren. jcc, 17(5-6):616-641, 1996. [doi]

runs on WebDSL